3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide

C15H16N4O2S2 — CID 39341500

IUPAC3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide
SMILESCc1nc(NC(=O)CC(C)C)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C15H16N4O2S2/c1-8(2)7-11(20)17-15-16-9(3)12(23-15)14-18-13(19-21-14)10-5-4-6-22-10/h4-6,8H,7H2,1-3H3,(H,16,17,20)
InChIKeyNNKOGJDCZWXKTH-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.21
Rot. Bonds5

About 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide

3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide (PubChem CID 39341500) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide
PubChem CID39341500
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide
SMILESCc1nc(NC(=O)CC(C)C)sc1-c1nc(-c2cccs2)no1
InChIInChI=1S/C15H16N4O2S2/c1-8(2)7-11(20)17-15-16-9(3)12(23-15)14-18-13(19-21-14)10-5-4-6-22-10/h4-6,8H,7H2,1-3H3,(H,16,17,20)
InChIKeyNNKOGJDCZWXKTH-UHFFFAOYSA-N
XLogP4.21
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide (CID 39341500) is 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide is Cc1nc(NC(=O)CC(C)C)sc1-c1nc(-c2cccs2)no1.
What is the InChIKey of 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is NNKOGJDCZWXKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-8(2)7-11(20)17-15-16-9(3)12(23-15)14-18-13(19-21-14)10-5-4-6-22-10/h4-6,8H,7H2,1-3H3,(H,16,17,20).
What are the key properties of 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide?
3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 348.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 39341500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).